Crystallography Open Database

Information card for entry 7061262

Preview

Coordinates	7061262.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56.4 H58.81 N10 Ni6 O16
Calculated formula	C56.403 H58.806 N10 Ni6 O16
Title of publication	Templated synthesis of Ni(ii) complexes of unsymmetrical Schiff base ligands derived from 1,3-diamino-2-propanol: structural diversity and magnetic properties
Authors of publication	Bhunia, Pradip; Maity, Souvik; Mayans, Júlia; Ghosh, Ashutosh
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	9
Pages of publication	4363 - 4372
a	28.199 ± 0.004 Å
b	15.467 ± 0.002 Å
c	17.513 ± 0.002 Å
α	90°
β	99.674 ± 0.005°
γ	90°
Cell volume	7529.7 ± 1.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1014
Residual factor for significantly intense reflections	0.0547
Weighted residual factors for significantly intense reflections	0.1328
Weighted residual factors for all reflections included in the refinement	0.1586
Goodness-of-fit parameter for all reflections included in the refinement	0.974
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
273403 (current)	2022-03-05	cif/ Updating files of 7061260, 7061261, 7061262 Original log message: Adding full bibliography for 7061260--7061262.cif.	7061262.cif
272363	2022-02-01	cif/ Adding structures of 7061260, 7061261, 7061262 via cif-deposit CGI script.	7061262.cif